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CHEBI:169882 - Pterosin F

ChEBI IDCHEBI:169882
ChEBI NamePterosin F
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H17ClO
Net Charge0
Average Mass236.742
Monoisotopic Mass236.09679
SMILESCc1cc2c(c(C)c1CCCl)C(=O)C(C)C2
InChIInChI=1S/C14H17ClO/c1-8-6-11-7-9(2)14(16)13(11)10(3)12(8)4-5-15/h6,9H,4-5,7H2,1-3H3
InChIKeyDFJCTWMNTSWCRI-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
Pterosin F (CHEBI:169882) is a indanones (CHEBI:24789)
IUPAC Name 
6-(2-chloroethyl)-2,5,7-trimethyl-2,3-dihydroinden-1-one
Manual XrefsDatabases
HMDB0036606HMDB
118944ChemSpider
Registry NumbersSources
CAS:34175-98-9ChemIDplus